SCHEMBL4870050

SCHEMBL4870050

NCC[C@H](C(=O)Nc1ccc2c(=O)[nH]cnc2c1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.58
ROCK2 O75116 5/20 0.58
FGFR1 P11362 2/20 0.58
CHEK1 O14757 2/20 0.58
PIM1 P11309 2/20 0.58
RPS6KA3 P51812 2/20 0.58
CDC7 O00311 1/20 0.58
PLK4 O00444 1/20 0.58
DCLK1 O15075 1/20 0.58
MAPK13 O15264 1/20 0.58
PDPK1 O15530 1/20 0.58
DAPK3 O43293 1/20 0.58
DYRK3 O43781 1/20 0.58
RPS6KA5 O75582 1/20 0.58
PRKD3 O94806 1/20 0.58
MAP4K4 O95819 1/20 0.58
PAK4 O96013 1/20 0.58
CHEK2 O96017 1/20 0.58
PRKCG P05129 1/20 0.58
FYN P06241 1/20 0.58

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4866136 1.00 KDR (0.58) KDRROCK2FGFR1CHEK1PIM1
SCHEMBL4874920 1.00 KDR (0.58) KDRROCK2FGFR1CHEK1PIM1
SCHEMBL4877478 0.83 ROCK2 (0.41) KDRROCK2FGFR1CHEK1PIM1
SCHEMBL4905656 0.83 KDR (0.42) KDRROCK2FGFR1CHEK1PIM1
SCHEMBL4871872 0.79 ROCK2 (0.48) KDRROCK2FGFR1CHEK1PIM1
SCHEMBL15650887 0.76 ROCK2 (0.63) KDRROCK2FGFR1CHEK1PIM1
SCHEMBL12824983 0.75 ROCK2 (0.69) KDRROCK2FGFR1CHEK1PIM1
SCHEMBL5118338 0.75 ROCK2 (0.61) KDRROCK2FGFR1CHEK1PIM1
SCHEMBL12824984 0.74 ROCK2 (0.67) KDRROCK2FGFR1CHEK1PIM1
SCHEMBL1060766 0.73 ROCK2 (1.00) KDRROCK2FGFR1CHEK1PIM1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080275029-A1 Compounds for Treating Protein-Kinase Mediated Disorders ASTEX THERAPEUTICS LIMITED (GB) 2008-11-06 US claimed
EP-1814552-A2 COMPOUNDS FOR TREATING PROTEIN-KINASE MEDIATED DISORDERS Astex Therapeutics Limited (GB) 2007-08-08 EP claimed
WO-2006051290-A2 COMPOUNDS FOR TREATING PROTEIN-KINASE MEDIATED DISORDERS ASTEX THERAPEUTICS LIMITED (GB) 2006-05-18 WO claimed
US-20080275029-A1 Compounds for Treating Protein-Kinase Mediated Disorders ASTEX THERAPEUTICS LIMITED (GB) 2008-11-06 US disclosed
US-20080275029-A1 Compounds for Treating Protein-Kinase Mediated Disorders ASTEX THERAPEUTICS LIMITED (GB) 2008-11-06 US disclosed
US-20080275029-A1 Compounds for Treating Protein-Kinase Mediated Disorders ASTEX THERAPEUTICS LIMITED (GB) 2008-11-06 US disclosed
EP-1814552-A2 COMPOUNDS FOR TREATING PROTEIN-KINASE MEDIATED DISORDERS Astex Therapeutics Limited (GB) 2007-08-08 EP disclosed
WO-2006051290-A2 COMPOUNDS FOR TREATING PROTEIN-KINASE MEDIATED DISORDERS ASTEX THERAPEUTICS LIMITED (GB) 2006-05-18 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080275029-A1 Compounds for Treating Protein-Kinase Mediated Disorders CNKSR1, PRKCH, PRKAR2B KDR 919/4885ROCK2 594/4885FGFR1 287/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.